(2-chloroethyl)diethylamine hydrochloride

• ChemBase编号: 74395
• 分子式: C6H15Cl2N
• 平均质量: 172.096
• 单一同位素质量: 171.05815485
• SMILES: N(CC)(CCCl)CC.Cl
• Canonical SMILES: ClCCN(CC)CC.Cl
• InChI: InChI=1S/C6H14ClN.ClH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
• InChIKey: RAGSWDIQBBZLLL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2-chloroethyl)diethylamine hydrochloride
• IUPAC传统名: N,N-diethyl-2-chloroethylamine hydrochloride
• 别名: 2-(二乙基氨基)乙基氯 盐酸盐; 2-(二乙基氨基)乙基氯 盐酸盐; 2-氯代三乙胺 盐酸盐; 2-二乙氨基氯乙烷 盐酸盐; (2-Chloroethyl)diethylamine Hydrochloride; 1-Diethylamino-2-chloroethane Hydrochloride; 2-(Diethylamino)-1-chloroethane Hydrochloride; Diethyl(2-chloroethyl)amine Hydrochloride; Diethylaminoethyl Chloride; 2-Chloro-N,N-diethylethylamine Hydrochloride; 2-Chloro-N,N-diethylethanamine hydrochloride; N-(2-Chloroethyl)diethylamine hydrochloride; 2-Chloro-N,N-diethylethylamine hydrochloride; 2-(Diethylamino)ethyl chloride hydrochloride; N-(2-chloroethyl)-N,N-diethylamine hydrochloride; 2-(Diethylamino)ethyl chloride hydrochloride; 1-Chloro-2-(diethylamino)ethane hydrochloride; 2-Chloro-N,N-diethylethylamine hydrochloride 98%; 2-Chlorotriethylamine hydrochloride; 2-Chloro-N,N-diethylethylamine hydrochloride; β-CHLOROETHYLDIETHYLAMINE HYDROCHLORIDE

登记号

• CAS号: 869-24-9
• EC号: 212-786-4
• MDL号: MFCD00012519
• Beilstein号: 3591991
• PubChem SID: 162039314; 24894220; 24859118
• PubChem CID: 13363

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -1.280223
• LogD (pH = 7.4): 0.47621664
• Log P: 1.5682752
• 摩尔折射率: 38.8286 cm^3
• 极化性: 15.121751 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol; Water
• 外观: White Solid
• 熔点: 204-211°C (dec); 206-210°C; 208 - 210°C; 208-210 °C(lit.); 208-212 °C; 208-212°C
• 疏水性(logP): 1.668

安全信息

• 保存条件: Hygroscopic, Refrigerator, Under Inert Atmosphere
• 保存注意事项: Moisture Sensitive; Toxic/Corrosive/Mutagenic/Moisture Sensitive
• RTECS编号: YE1050000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 2811; UN2928
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 23/24/25-36/37/38; 24-26/28-34-68-51/53
• 安全公开号: 26-28-36/37-45-61; 26-36-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H300 +H310 + H330-H315-H318-H335; H300-H310-H330-H314-H318-H341-H411-H401
• GHS警示性声明: P260-P264-P280-P284-P301 + P310-P302 + P350; P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

产品相关信息

• 纯度: ≥98.0% (AT); 95%; 98%; 98+%; 99%
• 级别: purum
• 成盐信息: HCl
• 线性分子式: (C2H5)2NCH2CH2Cl · HCl

详细说明

MP Biomedicals - 05213840

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D87201

包装
1 kg in poly bottle
100 g in poly bottle